5-(3-fluoranyl-4-methoxy-phenyl)-3-methyl-N-(phenylmethyl)-6H-1,3,4-thiadiazin-3-ium-2-amine

Systemtic Name: 5-(3-fluoranyl-4-methoxy-phenyl)-3-methyl-N-(phenylmethyl)-6H-1,3,4-thiadiazin-3-ium-2-amine Openeye Name: N-benzyl-5-(3-fluoro-4-methoxy-phenyl)-3-methyl-6H-1,3,4-thiadiazin-3-ium-2-amine CAS Name: 5-(3-fluoro-4-methoxyphenyl)-3-methyl-N-(phenylmethyl)-6H-1,3,4-thiadiazin-3-ium-2-amine IUPAC Name: N-benzyl-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6H-1,3,4-thiadiazin-3-ium-2-amine Traditional Name: benzyl-[5-(3-fluoro-4-methoxy-phenyl)-3-methyl-6H-1,3,4-thiadiazin-3-ium-2-yl]amine Formula: C18H19FN3OS+ MolecularWeight: 344.426363

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SCC(=N1)C2=CC(=C(C=C2)OC)F)NCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(SCC(=N1)C2=CC(=C(C=C2)OC)F)NCC3=CC=CC=C3

InChI

InChI=1S/C18H18FN3OS/c1-22-18(20-11-13-6-4-3-5-7-13)24-12-16(21-22)14-8-9-17(23-2)15(19)10-14/h3-10H,11-12H2,1-2H3/p+1